HEADER PROTEIN 27-AUG-21 NONE TITLE NULL COMPND NULL SOURCE NULL KEYWDS NULL EXPDTA NULL AUTHOR Marvin REVDAT 1 27-AUG-21 0 HETATM 1 S UNK 0 -16.651 -3.060 0.000 0.00 0.00 S+0 HETATM 2 O UNK 0 -16.651 -1.520 0.000 0.00 0.00 O+0 HETATM 3 O UNK 0 -17.985 -3.830 0.000 0.00 0.00 O+0 HETATM 4 O UNK 0 -15.318 -3.830 0.000 0.00 0.00 O+0 HETATM 5 O UNK 0 -16.651 -4.600 0.000 0.00 0.00 O+0 HETATM 6 C UNK 0 -9.418 5.156 0.000 0.00 0.00 C+0 HETATM 7 C UNK 0 -11.731 6.489 0.000 0.00 0.00 C+0 HETATM 8 C UNK 0 -10.969 5.156 0.000 0.00 0.00 C+0 HETATM 9 C UNK 0 -15.377 4.367 0.000 0.00 0.00 C+0 HETATM 10 C UNK 0 -14.615 5.700 0.000 0.00 0.00 C+0 HETATM 11 C UNK 0 -16.909 4.367 0.000 0.00 0.00 C+0 HETATM 12 C UNK 0 -7.323 3.043 0.000 0.00 0.00 C+0 HETATM 13 O UNK 0 -13.282 6.471 0.000 0.00 0.00 O+0 HETATM 14 O UNK 0 -8.085 4.376 0.000 0.00 0.00 O+0 HETATM 15 O UNK 0 -5.781 3.043 0.000 0.00 0.00 O+0 HETATM 16 C UNK 0 -17.689 5.700 0.000 0.00 0.00 C+0 HETATM 17 C UNK 0 -8.656 6.489 0.000 0.00 0.00 C+0 HETATM 18 C UNK 0 -10.969 7.822 0.000 0.00 0.00 C+0 HETATM 19 O UNK 0 -15.377 7.033 0.000 0.00 0.00 O+0 HETATM 20 C UNK 0 -9.418 7.822 0.000 0.00 0.00 C+0 HETATM 21 C UNK 0 -5.011 1.710 0.000 0.00 0.00 C+0 HETATM 22 C UNK 0 -16.909 7.033 0.000 0.00 0.00 C+0 HETATM 23 C UNK 0 -8.094 1.710 0.000 0.00 0.00 C+0 HETATM 24 N UNK 0 -17.689 3.034 0.000 0.00 0.00 N+0 HETATM 25 C UNK 0 -5.781 0.376 0.000 0.00 0.00 C+0 HETATM 26 C UNK 0 -7.323 0.376 0.000 0.00 0.00 C+0 HETATM 27 O UNK 0 -14.597 3.034 0.000 0.00 0.00 O+0 HETATM 28 O UNK 0 -11.731 3.823 0.000 0.00 0.00 O+0 HETATM 29 N UNK 0 -11.731 9.155 0.000 0.00 0.00 N+0 HETATM 30 N UNK 0 -7.106 6.471 0.000 0.00 0.00 N+0 HETATM 31 C UNK 0 -3.686 2.489 0.000 0.00 0.00 C+0 HETATM 32 O UNK 0 -19.050 6.462 0.000 0.00 0.00 O+0 HETATM 33 N UNK 0 -3.705 4.040 0.000 0.00 0.00 N+0 HETATM 34 N UNK 0 -9.636 1.710 0.000 0.00 0.00 N+0 HETATM 35 C UNK 0 -19.050 4.938 0.000 0.00 0.00 C+0 HETATM 36 C UNK 0 -19.222 3.034 0.000 0.00 0.00 C+0 HETATM 37 C UNK 0 -2.372 4.829 0.000 0.00 0.00 C+0 HETATM 38 C UNK 0 -2.344 1.737 0.000 0.00 0.00 C+0 HETATM 39 H UNK 0 -9.427 3.605 0.000 0.00 0.00 H+0 HETATM 40 H UNK 0 -13.282 4.920 0.000 0.00 0.00 H+0 HETATM 41 H UNK 0 -3.686 0.939 0.000 0.00 0.00 H+0 HETATM 42 C UNK 0 12.148 5.156 0.000 0.00 0.00 C+0 HETATM 43 C UNK 0 9.835 6.489 0.000 0.00 0.00 C+0 HETATM 44 C UNK 0 10.606 5.156 0.000 0.00 0.00 C+0 HETATM 45 C UNK 0 6.198 4.367 0.000 0.00 0.00 C+0 HETATM 46 C UNK 0 6.960 5.700 0.000 0.00 0.00 C+0 HETATM 47 C UNK 0 4.648 4.367 0.000 0.00 0.00 C+0 HETATM 48 C UNK 0 14.243 3.043 0.000 0.00 0.00 C+0 HETATM 49 O UNK 0 8.293 6.471 0.000 0.00 0.00 O+0 HETATM 50 O UNK 0 13.481 4.376 0.000 0.00 0.00 O+0 HETATM 51 O UNK 0 15.775 3.043 0.000 0.00 0.00 O+0 HETATM 52 C UNK 0 3.877 5.700 0.000 0.00 0.00 C+0 HETATM 53 C UNK 0 12.919 6.489 0.000 0.00 0.00 C+0 HETATM 54 C UNK 0 10.606 7.822 0.000 0.00 0.00 C+0 HETATM 55 O UNK 0 6.198 7.033 0.000 0.00 0.00 O+0 HETATM 56 C UNK 0 12.148 7.822 0.000 0.00 0.00 C+0 HETATM 57 C UNK 0 16.555 1.710 0.000 0.00 0.00 C+0 HETATM 58 C UNK 0 4.648 7.033 0.000 0.00 0.00 C+0 HETATM 59 C UNK 0 13.463 1.710 0.000 0.00 0.00 C+0 HETATM 60 N UNK 0 3.886 3.034 0.000 0.00 0.00 N+0 HETATM 61 C UNK 0 15.775 0.376 0.000 0.00 0.00 C+0 HETATM 62 C UNK 0 14.243 0.376 0.000 0.00 0.00 C+0 HETATM 63 O UNK 0 6.960 3.034 0.000 0.00 0.00 O+0 HETATM 64 O UNK 0 9.835 3.823 0.000 0.00 0.00 O+0 HETATM 65 N UNK 0 9.835 9.155 0.000 0.00 0.00 N+0 HETATM 66 N UNK 0 14.461 6.471 0.000 0.00 0.00 N+0 HETATM 67 C UNK 0 17.870 2.489 0.000 0.00 0.00 C+0 HETATM 68 O UNK 0 2.525 6.462 0.000 0.00 0.00 O+0 HETATM 69 N UNK 0 11.921 1.710 0.000 0.00 0.00 N+0 HETATM 70 N UNK 0 17.870 4.040 0.000 0.00 0.00 N+0 HETATM 71 C UNK 0 2.525 4.938 0.000 0.00 0.00 C+0 HETATM 72 C UNK 0 2.335 3.034 0.000 0.00 0.00 C+0 HETATM 73 C UNK 0 19.222 1.737 0.000 0.00 0.00 C+0 HETATM 74 H UNK 0 8.293 4.920 0.000 0.00 0.00 H+0 HETATM 75 H UNK 0 12.130 3.605 0.000 0.00 0.00 H+0 HETATM 76 H UNK 0 17.870 0.939 0.000 0.00 0.00 H+0 HETATM 77 C UNK 0 1.355 -4.394 0.000 0.00 0.00 C+0 HETATM 78 C UNK 0 -0.957 -3.061 0.000 0.00 0.00 C+0 HETATM 79 C UNK 0 -0.177 -4.394 0.000 0.00 0.00 C+0 HETATM 80 C UNK 0 -4.584 -5.183 0.000 0.00 0.00 C+0 HETATM 81 C UNK 0 -3.823 -3.850 0.000 0.00 0.00 C+0 HETATM 82 C UNK 0 -6.126 -5.183 0.000 0.00 0.00 C+0 HETATM 83 O UNK 0 -2.489 -3.061 0.000 0.00 0.00 O+0 HETATM 84 O UNK 0 2.689 -5.156 0.000 0.00 0.00 O+0 HETATM 85 C UNK 0 3.451 -6.489 0.000 0.00 0.00 C+0 HETATM 86 C UNK 0 -6.915 -3.850 0.000 0.00 0.00 C+0 HETATM 87 C UNK 0 2.136 -3.061 0.000 0.00 0.00 C+0 HETATM 88 C UNK 0 -0.177 -1.727 0.000 0.00 0.00 C+0 HETATM 89 O UNK 0 5.001 -6.489 0.000 0.00 0.00 O+0 HETATM 90 O UNK 0 -4.584 -2.516 0.000 0.00 0.00 O+0 HETATM 91 C UNK 0 1.355 -1.727 0.000 0.00 0.00 C+0 HETATM 92 C UNK 0 -6.126 -2.516 0.000 0.00 0.00 C+0 HETATM 93 C UNK 0 2.689 -7.822 0.000 0.00 0.00 C+0 HETATM 94 N UNK 0 -6.897 -6.516 0.000 0.00 0.00 N+0 HETATM 95 O UNK 0 -3.814 -6.516 0.000 0.00 0.00 O+0 HETATM 96 O UNK 0 -0.957 -5.727 0.000 0.00 0.00 O+0 HETATM 97 C UNK 0 3.451 -9.155 0.000 0.00 0.00 C+0 HETATM 98 N UNK 0 3.668 -3.061 0.000 0.00 0.00 N+0 HETATM 99 N UNK 0 -0.957 -0.394 0.000 0.00 0.00 N+0 HETATM 100 C UNK 0 5.763 -7.822 0.000 0.00 0.00 C+0 HETATM 101 O UNK 0 -8.248 -3.079 0.000 0.00 0.00 O+0 HETATM 102 N UNK 0 1.138 -7.822 0.000 0.00 0.00 N+0 HETATM 103 C UNK 0 5.001 -9.155 0.000 0.00 0.00 C+0 HETATM 104 N UNK 0 8.429 -7.795 0.000 0.00 0.00 N+0 HETATM 105 C UNK 0 -8.248 -4.611 0.000 0.00 0.00 C+0 HETATM 106 C UNK 0 7.087 -7.033 0.000 0.00 0.00 C+0 HETATM 107 C UNK 0 -8.439 -6.516 0.000 0.00 0.00 C+0 HETATM 108 H UNK 0 -2.489 -4.611 0.000 0.00 0.00 H+0 HETATM 109 H UNK 0 7.096 -8.602 0.000 0.00 0.00 H+0 HETATM 110 H UNK 0 1.355 -5.935 0.000 0.00 0.00 H+0 CONECT 1 2 3 4 5 CONECT 2 1 CONECT 3 1 CONECT 4 1 CONECT 5 1 CONECT 6 39 8 14 17 CONECT 7 18 8 13 CONECT 8 7 6 28 CONECT 9 10 11 27 CONECT 10 40 9 13 19 CONECT 11 16 9 24 CONECT 12 14 15 23 CONECT 13 10 7 CONECT 14 12 6 CONECT 15 12 21 CONECT 16 32 35 11 22 CONECT 17 6 20 30 CONECT 18 7 20 29 CONECT 19 10 22 CONECT 20 18 17 CONECT 21 41 15 25 31 CONECT 22 16 19 CONECT 23 34 12 26 CONECT 24 36 11 CONECT 25 26 21 CONECT 26 25 23 CONECT 27 9 CONECT 28 8 CONECT 29 18 CONECT 30 17 CONECT 31 38 21 33 CONECT 32 16 CONECT 33 37 31 CONECT 34 23 CONECT 35 16 CONECT 36 24 CONECT 37 33 CONECT 38 31 CONECT 39 6 CONECT 40 10 CONECT 41 21 CONECT 42 44 50 53 75 CONECT 43 44 49 54 CONECT 44 43 42 64 CONECT 45 46 47 63 CONECT 46 45 49 55 74 CONECT 47 45 60 52 CONECT 48 50 51 59 CONECT 49 46 43 CONECT 50 48 42 CONECT 51 48 57 CONECT 52 58 68 71 47 CONECT 53 42 56 66 CONECT 54 56 65 43 CONECT 55 46 58 CONECT 56 54 53 CONECT 57 51 67 76 61 CONECT 58 52 55 CONECT 59 48 62 69 CONECT 60 47 72 CONECT 61 62 57 CONECT 62 61 59 CONECT 63 45 CONECT 64 44 CONECT 65 54 CONECT 66 53 CONECT 67 57 73 70 CONECT 68 52 CONECT 69 59 CONECT 70 67 CONECT 71 52 CONECT 72 60 CONECT 73 67 CONECT 74 46 CONECT 75 42 CONECT 76 57 CONECT 77 79 84 87 110 CONECT 78 79 83 88 CONECT 79 78 77 96 CONECT 80 81 82 95 CONECT 81 80 83 90 108 CONECT 82 80 94 86 CONECT 83 81 78 CONECT 84 77 85 CONECT 85 84 89 93 CONECT 86 92 101 105 82 CONECT 87 77 91 98 CONECT 88 91 99 78 CONECT 89 85 100 CONECT 90 81 92 CONECT 91 88 87 CONECT 92 86 90 CONECT 93 85 97 102 CONECT 94 82 107 CONECT 95 80 CONECT 96 79 CONECT 97 93 103 CONECT 98 87 CONECT 99 88 CONECT 100 89 106 109 103 CONECT 101 86 CONECT 102 93 CONECT 103 97 100 CONECT 104 106 CONECT 105 86 CONECT 106 104 100 CONECT 107 94 CONECT 108 81 CONECT 109 100 CONECT 110 77 MASTER 0 0 0 0 0 0 0 0 110 0 230 0 END